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113600-56-9 | Isobenzofuran, 1,3-dihydro-1-(1-naphthalenylmethylene)-
CAS No: 113600-56-9 Catalog No: AG00093W MDL No:
Product Description
Catalog Number:
AG00093W
Chemical Name:
Isobenzofuran, 1,3-dihydro-1-(1-naphthalenylmethylene)-
CAS Number:
113600-56-9
Molecular Formula:
C19H14O
Molecular Weight:
258.3139
IUPAC Name:
3-(naphthalen-1-ylmethylidene)-1H-2-benzofuran
InChI:
InChI=1S/C19H14O/c1-3-10-17-14(6-1)8-5-9-15(17)12-19-18-11-4-2-7-16(18)13-20-19/h1-12H,13H2
InChI Key:
ZHXZQTDOUFKITE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)COC2=Cc1cccc2c1cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.32g/mol
Monoisotopic Mass:
258.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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